NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4274 8.3193 115.2927 58.5383 63.4036 173.3442 9 T 4.0245 8.3572 112.1810 60.9295 69.2814 173.0068 10 G 3.7545 8.1249 110.4872 46.8976 0.0000 174.8617 11 F 4.7705 7.9876 123.0246 56.5765 41.7694 174.4664 12 L 3.7967 6.2541 119.2775 54.5772 41.8617 177.4442 13 V 3.7455 7.5088 120.1235 61.8158 31.9851 176.6178 14 K 4.4303 8.2976 121.3727 55.8731 35.4294 177.3969 15 Q 3.8947 8.5956 121.6976 59.7122 28.9845 179.0248 16 R 4.0362 8.1021 118.8078 59.3041 30.1183 178.3014 17 A 4.7555 7.9679 121.4529 54.5610 18.5281 178.9909 18 F 4.1125 8.3448 119.2656 61.6774 39.4442 177.3810 19 L 4.2514 8.5937 118.6501 57.8038 41.5727 179.5784 20 K 3.9072 8.1348 118.1327 59.4025 31.9991 178.9947 21 L 4.1503 8.2986 120.4782 58.6547 42.0081 178.7121 22 Y 3.9193 8.0201 116.4247 61.1505 37.6436 178.4806 23 M 4.0649 8.1209 119.8447 58.3762 32.0538 178.8831 24 I 3.7647 7.6856 119.4549 64.8348 37.5180 178.4991 25 T 4.0983 7.9353 116.5482 67.0629 68.1340 176.5436 26 M 4.2159 8.0580 120.4341 58.5105 31.8932 178.6696 27 T 3.9119 7.8894 115.0766 66.8016 68.6332 175.6856 28 E 4.4335 8.2318 119.1892 59.9630 29.6603 179.1425 29 Q 4.3296 7.4666 114.7665 57.0195 29.3686 176.3022 30 E 4.5171 7.8970 117.7041 54.8087 33.1542 174.6404 31 R 4.0731 8.8233 125.7470 56.8218 30.7833 175.5912 32 L 5.0319 8.5841 123.6261 52.8600 46.2068 174.6453 33 Y 5.6159 7.0934 116.3392 54.3527 41.2702 177.1584 34 G 4.1408 9.4855 107.5096 48.4664 0.0000 175.9655 35 L 4.1377 8.3224 120.9006 56.0231 41.7911 179.3250 36 K 3.7440 7.7439 120.3187 59.1876 32.1479 178.3533 37 L 3.8565 7.7527 118.8196 58.0778 41.4967 179.3824 38 L 3.8195 7.6383 119.3240 57.9797 42.1711 178.3141 39 E 3.8831 7.9244 119.0569 59.3700 29.4486 179.1853 40 V 3.5427 7.8562 117.9575 65.8835 31.6739 177.8185 41 L 3.9689 7.9156 118.6676 58.0232 41.3049 179.4448 42 R 3.8487 8.0873 117.0252 59.6196 30.1930 178.8714 43 S 4.2966 7.9214 113.0588 61.1536 63.0817 175.7692 44 E 3.8395 8.3936 122.4954 58.4760 29.5784 177.9893 45 F 4.8974 8.0994 115.2661 56.9871 39.1531 176.4287 46 K 4.3529 7.6677 118.6776 56.7872 31.9208 176.8149 47 E 4.5756 8.0230 117.1796 58.0281 31.4616 177.4890 48 I 3.8065 7.8743 118.3678 62.7671 37.3478 177.1177 49 G 3.9161 8.3532 106.7898 45.1805 0.0000 172.6572 50 F 4.5951 8.0885 121.8199 57.4434 39.7533 175.9538 51 K 4.2576 8.2088 131.0558 53.4386 31.3423 172.6691 52 P 4.0667 0.0000 0.0000 62.6373 32.0618 176.0533 53 N 5.0454 7.9849 115.3196 50.6229 41.5145 174.9092 54 H 3.9101 8.5948 116.6168 58.8061 28.3835 177.3046 55 T 4.1019 7.6248 115.1573 64.2513 67.2367 176.0993 56 E 3.8992 8.3033 121.5685 59.0253 29.7064 178.4419 57 V 3.4960 7.3357 118.5301 66.4645 31.3821 177.6782 58 Y 4.3052 7.6586 115.8397 61.3658 37.7318 178.3377 59 R 3.9689 8.3030 119.2398 59.5833 30.1795 179.0609 60 S 4.1207 8.8918 115.3112 61.6989 62.6819 176.6791 61 L 3.7392 7.7049 120.0102 58.1502 41.7686 178.8348 62 H 4.3891 8.8182 116.3434 59.1239 28.7294 177.2323 63 E 4.1610 8.3376 122.1375 58.9091 29.5080 178.6865 64 L 4.1102 7.9230 118.7914 57.8334 41.5748 179.8220 65 L 4.1992 7.8262 118.6854 57.9539 41.1223 179.0595 66 D 4.3988 8.0951 118.3145 57.6057 40.6192 178.4359 67 D 4.4950 8.4368 118.5547 55.5748 41.0756 177.9707 68 G 4.0239 8.2279 106.9765 45.3199 0.0000 175.0527 69 I 4.0278 7.8787 121.7823 63.2404 38.1541 175.9253 70 L 5.3499 7.9371 119.0901 52.7032 45.2381 175.8348 71 K 4.7525 8.8207 120.6433 54.8770 36.0387 174.8863 72 Q 4.4875 8.4990 122.9818 54.7850 30.5599 175.2810 73 I 4.4602 8.6892 123.2159 59.3479 40.7138 174.7507 74 K 4.6276 8.6756 127.2886 56.2051 32.6938 176.5920 75 V 4.5674 8.6993 118.0528 59.6982 36.4025 174.5834 76 K 4.5123 8.5202 119.9243 55.2890 33.8153 176.3025 77 K 4.5543 8.3957 122.5415 54.8755 34.4318 175.0085 78 E 4.6830 8.2681 120.1544 55.7424 29.9266 177.0796 79 G 3.6816 8.1916 104.3512 45.9932 0.0000 174.7639 80 A 3.7930 7.8416 121.0450 52.0646 16.7769 178.5980 81 K 4.1987 7.5993 115.4665 57.2170 33.0461 177.1538 82 L 3.5837 7.2020 113.5550 57.3430 40.4852 174.1179 83 Q 4.5559 7.1903 129.4591 54.2655 28.0794 177.8234 84 E 5.4659 7.8920 116.7460 55.7026 31.6774 174.4024 85 V 4.3834 8.8753 126.6620 59.7428 35.7236 174.6569 86 V 4.5715 8.1791 120.8538 61.3669 33.5013 174.4070 87 L 5.6091 8.5577 128.3273 53.4123 43.7460 175.4445 88 Y 5.8220 8.9024 118.4663 55.7703 40.5514 175.1954 89 Q 4.5251 8.3411 119.2637 54.0947 32.6656 174.0386 90 F 4.3870 8.7601 119.9903 58.5717 38.9440 174.1806 91 K 4.1536 9.3230 126.6143 56.6538 32.0738 176.4552 92 D 4.7930 8.4999 126.8586 52.3583 40.9545 176.2955 93 Y 4.1196 8.5632 126.8419 60.6111 38.7842 177.4305 94 E 3.8147 8.2290 118.6652 59.2317 29.5384 178.9112 95 A 4.0766 8.2153 120.4880 54.6042 18.5445 179.4459 96 A 4.0330 7.9223 119.1861 55.1671 18.3423 179.9131 97 K 3.7059 7.5004 116.4240 59.4251 32.1666 179.2052 98 L 3.8779 7.8392 120.5508 58.5025 41.8456 178.4035 99 Y 3.9638 8.4166 119.7005 60.6756 38.1589 178.2299 100 K 4.0454 8.2416 119.4757 59.1418 31.7579 179.6207 101 K 3.9449 8.2721 119.1868 59.6229 32.1360 179.4606 102 Q 3.9126 7.8990 118.2066 58.7610 28.5137 178.7239 103 L 4.0007 7.4313 119.7644 56.5955 41.6599 179.1817 104 K 3.7932 7.5586 119.1487 59.4381 32.2001 178.4995 105 V 3.5294 7.2842 118.1031 66.4240 31.3403 177.7265 106 E 3.9393 7.9672 117.5169 59.5907 29.4657 179.5609 107 L 4.0889 8.2884 119.1944 57.4418 41.6110 179.4032 108 D 4.2986 8.3529 119.5616 57.4708 40.8258 178.7503 109 R 3.9168 7.9695 118.4809 59.5946 29.9650 179.3000 110 S 4.0091 8.0110 114.7413 61.3219 62.7372 176.7984 111 K 3.9521 7.8704 122.1121 59.2813 31.8925 179.0705 112 K 3.9587 8.0472 118.8070 59.3616 31.9955 179.1317 113 L 4.0824 7.9692 119.1309 58.0654 41.6269 179.7689 114 I 3.7487 7.4814 119.2299 64.3521 37.0841 178.4411 115 E 3.9515 8.2092 119.4048 59.3203 29.3601 179.2345 116 K 3.9188 8.7868 120.1930 59.5742 32.1031 178.6651 117 A 4.0686 8.5497 121.3239 55.1820 18.1287 179.6187 118 L 4.2924 8.4056 116.6933 57.3916 41.7970 179.3108 119 S 4.3733 7.8516 113.1609 61.2772 62.3794 175.7837 120 D 4.4675 8.1406 120.5583 56.8085 40.6651 177.7519 121 N 4.5144 7.7463 114.6974 52.9797 39.4811 175.0317 122 F 4.4939 7.5691 122.2715 57.4751 39.5378 174.9310 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 8 S 8.32 4.43 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.36 4.02 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 10 G 8.12 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.99 4.77 0.00 2.93 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 6.25 3.80 0.00 1.31 1.31 0.65 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.51 3.75 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.04 0.00 0.00 14 K 8.30 4.43 0.00 2.02 2.00 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.61 7.81 15 Q 8.60 3.89 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.23 0.00 16 R 8.10 4.04 0.00 2.13 1.98 0.00 3.61 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 17 A 7.97 4.76 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.34 4.11 0.00 3.10 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.59 4.25 0.00 1.92 1.79 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.13 3.91 0.00 2.10 1.54 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.38 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.58 7.81 21 L 8.30 4.15 0.00 1.99 1.92 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.02 3.92 0.00 3.25 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.12 4.06 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.93 0.00 24 I 7.69 3.76 2.10 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.87 1.26 0.00 0.00 25 T 7.94 4.10 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 26 M 8.06 4.22 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 27 T 7.89 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 28 E 8.23 4.43 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.98 0.00 29 Q 7.47 4.33 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 30 E 7.90 4.52 0.00 1.86 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 31 R 8.82 4.07 0.00 1.77 1.92 0.00 3.22 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 32 L 8.58 5.03 0.00 1.50 1.37 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.09 5.62 0.00 3.18 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.49 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.32 4.14 0.00 1.99 1.82 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.74 3.74 0.00 0.79 1.23 0.00 1.52 0.00 0.00 1.35 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.30 7.81 37 L 7.75 3.86 0.00 1.87 1.66 0.86 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.64 3.82 0.00 1.60 1.69 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.92 3.88 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 40 V 7.86 3.54 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 41 L 7.92 3.97 0.00 1.71 1.65 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.09 3.85 0.00 1.89 1.96 0.00 3.07 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 43 S 7.92 4.30 0.00 4.07 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.39 3.84 0.00 2.14 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 45 F 8.10 4.90 0.00 3.28 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.67 4.35 0.00 1.85 1.81 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.41 7.81 47 E 8.02 4.58 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 48 I 7.87 3.81 2.19 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 1.02 0.00 0.00 49 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.09 4.60 0.00 2.52 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.21 4.26 0.00 1.67 1.60 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.28 7.81 52 P 0.00 4.07 0.00 1.89 1.44 0.00 3.13 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 53 N 7.98 5.05 0.00 2.92 2.86 0.00 0.00 5.67 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.59 3.91 0.00 3.11 3.49 0.00 5.45 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.62 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 56 E 8.30 3.90 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 57 V 7.34 3.50 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.81 0.00 0.00 58 Y 7.66 4.31 0.00 3.21 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.30 3.97 0.00 2.00 2.04 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.05 0.00 60 S 8.89 4.12 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.70 3.74 0.00 1.76 1.53 0.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.82 4.39 0.00 3.45 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.34 4.16 0.00 2.25 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 64 L 7.92 4.11 0.00 1.86 1.65 0.76 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.83 4.20 0.00 1.87 1.76 1.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.10 4.40 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.44 4.50 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.23 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.88 4.03 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 1.04 0.00 0.00 70 L 7.94 5.35 0.00 1.58 1.73 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.82 4.75 0.00 1.96 1.58 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.41 7.81 72 Q 8.50 4.49 0.00 1.82 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.49 0.00 0.00 0.00 0.00 0.00 1.73 2.26 0.00 73 I 8.69 4.46 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.88 0.00 0.00 74 K 8.68 4.63 0.00 1.59 1.71 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.40 7.81 75 V 8.70 4.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.98 0.00 0.00 76 K 8.52 4.51 0.00 1.61 1.70 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 77 K 8.40 4.55 0.00 1.52 1.59 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.08 7.81 78 E 8.27 4.68 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 79 G 8.19 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.84 3.79 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.60 4.20 0.00 1.68 1.76 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.32 7.81 82 L 7.20 3.58 0.00 1.71 1.85 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.19 4.56 0.00 2.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 84 E 7.89 5.47 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.30 0.00 85 V 8.88 4.38 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.06 0.00 0.00 86 V 8.18 4.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.85 0.00 0.00 87 L 8.56 5.61 0.00 1.65 1.62 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.90 5.82 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.34 4.53 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 90 F 8.76 4.39 0.00 3.06 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 9.32 4.15 0.00 1.84 2.02 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.43 7.81 92 D 8.50 4.79 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.56 4.12 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.23 3.81 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 95 A 8.22 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.92 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.50 3.71 0.00 1.75 1.69 0.00 0.93 0.00 0.00 0.75 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 0.95 7.81 98 L 7.84 3.88 0.00 1.90 1.81 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.42 3.96 0.00 3.10 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.24 4.05 0.00 2.06 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.67 7.81 101 K 8.27 3.94 0.00 1.92 1.80 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.56 7.81 102 Q 7.90 3.91 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 103 L 7.43 4.00 0.00 1.52 1.58 0.93 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.56 3.79 0.00 1.83 1.95 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 105 V 7.28 3.53 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.93 0.00 0.00 106 E 7.97 3.94 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 107 L 8.29 4.09 0.00 1.81 1.71 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.35 4.30 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.97 3.92 0.00 1.94 1.96 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 110 S 8.01 4.01 0.00 4.04 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.87 3.95 0.00 1.86 1.95 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.54 7.81 112 K 8.05 3.96 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 113 L 7.97 4.08 0.00 1.72 1.65 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.48 3.75 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.50 0.91 0.00 0.00 115 E 8.21 3.95 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 116 K 8.79 3.92 0.00 1.82 2.05 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.58 7.81 117 A 8.55 4.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.41 4.29 0.00 1.88 1.82 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.85 4.37 0.00 4.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.14 4.47 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.75 4.51 0.00 2.22 2.23 0.00 0.00 6.83 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.57 4.49 0.00 3.30 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00